Geometry & MOs

Info

ID:

13658

PubChem CID:

396567

Reduced:

SN2O8H32C39 (1)

Stoich.:

AB2C8D32E39 (1)

Weight, g/mol:

688.187937

ΔHf, kcal/mol:

-161.24

Dipole, Da:

2.47

IP(EA), eV:

 -8.82(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-dibenzoyloxy-5-(4-benzylidene-5-oxo-1-prop-2-enylimidazol-2-yl)sulfanyloxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C=CCN1C(=O)C(=CC2=CC=CC=C2)N=C1SC3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations